AG002GGI

187731-26-6 | 1-Octanaminium, N-hexyl-N,N-dimethyl-, bromide (1:1)

AG002GGI

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CAS Number	187731-26-6
Catalog Number	AG002GGI(AGN-PC-0782EQ)
Chemical Name	1-Octanaminium, N-hexyl-N,N-dimethyl-, bromide (1:1)
IUPAC Name	hexyl-dimethyl-octylazanium;bromide
InChI	InChI=1S/C16H36N.BrH/c1-5-7-9-11-12-14-16-17(3,4)15-13-10-8-6-2;/h5-16H2,1-4H3;1H/q+1;/p-1
InChI Key	KIEOLZRKTOBVMX-UHFFFAOYSA-M
MDL Number	MFCD03093632
Molecular Formula	C16H36BrN
Molecular Weight	322.3677
SMILES	[Br-].CCCCCCCC[N+](C)(C)CCCCCC
Synonyms	Hexyldimethyloctylammonium Bromide, 187731-26-6, N-Hexyl-N,N-dimethyloctan-1-aminium bromide, ACMC-209epz, SCHEMBL2348944, CTK4D9603, DTXSID30659924, ANW-23349, MFCD03093632, AKOS015833007, RTR-008678, TR-008678, J-012081, 1-Octanaminium,N-hexyl-N,N-dimethyl-, bromide (1:1), H0989,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	321.203g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	322.375g/mol
Monoisotopic Mass	321.203g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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